N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide

C15H14ClN3O2 — CID 28722825

IUPACN-(3-acetamidophenyl)-3-amino-4-chlorobenzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C15H14ClN3O2/c1-9(20)18-11-3-2-4-12(8-11)19-15(21)10-5-6-13(16)14(17)7-10/h2-8H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyWQGITGGJOYADMW-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.13
Rot. Bonds3

About N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide

N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide (PubChem CID 28722825) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-amino-4-chlorobenzamide
PubChem CID28722825
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-(3-acetamidophenyl)-3-amino-4-chlorobenzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C15H14ClN3O2/c1-9(20)18-11-3-2-4-12(8-11)19-15(21)10-5-6-13(16)14(17)7-10/h2-8H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyWQGITGGJOYADMW-UHFFFAOYSA-N
XLogP3.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-(3-amino-4-chlorophenyl)benzamide
CID 28867862
3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide
CID 60923802
3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide
CID 60926921
N-(3-acetamidophenyl)-4-amino-3-fluorobenzamide
CID 62679268
N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762
3-amino-4-chloro-N-[3-(difluoromethoxy)phenyl]benzamide
CID 43706007
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508
3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 55532232
3-amino-4-chloro-N-(4-propylphenyl)benzamide
CID 43378583
N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide
CID 92683312
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide?
The IUPAC name of N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide (CID 28722825) is N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide is CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(N)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide?
The InChIKey is WQGITGGJOYADMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9(20)18-11-3-2-4-12(8-11)19-15(21)10-5-6-13(16)14(17)7-10/h2-8H,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide?
N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide has a molecular weight of 303.75 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide is sourced from PubChem (CID 28722825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).